CID 59402299

2-(3-bromo-1h-pyrazol-1-yl)ethanol

Structural Information

Molecular Formula

C₅H₇BrN₂O

SMILES

C1=CN(N=C1Br)CCO

InChI

InChI=1S/C5H7BrN2O/c6-5-1-2-8(7-5)3-4-9/h1-2,9H,3-4H2

InChIKey

SAHRWYGGGKIOHK-UHFFFAOYSA-N

Compound name

2-(3-bromopyrazol-1-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 189.97418 Da
Monoisotopic Mass: 0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.98146	137.4
[M+Na]+	212.96340	139.5
[M+NH4]+	208.00800	141.4
[M+K]+	228.93734	141.5
[M-H]-	188.96690	135.8
[M+Na-2H]-	210.94885	139.3
[M]+	189.97363	135.8
[M]-	189.97473	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe